ethane;methanamine;methanesulfonic acid;methanol;naphthalene

C15H27NO4S — CID 91220007

IUPACethane;methanamine;methanesulfonic acid;methanol;naphthalene
SMILESCC.CN.CO.CS(=O)(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H6.CH5N.CH4O3S.CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2;1-5(2,3)4;1-2/h1-8H;1-2H3;2H2,1H3;1H3,(H,2,3,4);2H,1H3
InChIKeyLWRRZIUFBRQJOT-UHFFFAOYSA-N
MW317.45 g/mol
LogP2.55
Rot. Bonds

About ethane;methanamine;methanesulfonic acid;methanol;naphthalene

ethane;methanamine;methanesulfonic acid;methanol;naphthalene (PubChem CID 91220007) has the molecular formula C15H27NO4S and a molecular weight of 317.45 g/mol. Its IUPAC name is ethane;methanamine;methanesulfonic acid;methanol;naphthalene.

Molecular Properties

Compound Nameethane;methanamine;methanesulfonic acid;methanol;naphthalene
PubChem CID91220007
Molecular FormulaC15H27NO4S
Molecular Weight317.45 g/mol
Exact Mass317.17
IUPAC Nameethane;methanamine;methanesulfonic acid;methanol;naphthalene
SMILESCC.CN.CO.CS(=O)(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.C2H6.CH5N.CH4O3S.CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2;1-5(2,3)4;1-2/h1-8H;1-2H3;2H2,1H3;1H3,(H,2,3,4);2H,1H3
InChIKeyLWRRZIUFBRQJOT-UHFFFAOYSA-N
XLogP2.55
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.45
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;methanesulfonic acid;methanol;naphthalene?
The IUPAC name of ethane;methanamine;methanesulfonic acid;methanol;naphthalene (CID 91220007) is ethane;methanamine;methanesulfonic acid;methanol;naphthalene.
What is the SMILES notation for ethane;methanamine;methanesulfonic acid;methanol;naphthalene?
The canonical SMILES for ethane;methanamine;methanesulfonic acid;methanol;naphthalene is CC.CN.CO.CS(=O)(=O)O.c1ccc2ccccc2c1.
What is the InChIKey of ethane;methanamine;methanesulfonic acid;methanol;naphthalene?
The InChIKey is LWRRZIUFBRQJOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.C2H6.CH5N.CH4O3S.CH4O/c1-2-6-10-8-4-3-7-9(10)5-1;2*1-2;1-5(2,3)4;1-2/h1-8H;1-2H3;2H2,1H3;1H3,(H,2,3,4);2H,1H3.
What are the key properties of ethane;methanamine;methanesulfonic acid;methanol;naphthalene?
ethane;methanamine;methanesulfonic acid;methanol;naphthalene has a molecular weight of 317.45 g/mol, XLogP of 2.55, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;methanesulfonic acid;methanol;naphthalene is sourced from PubChem (CID 91220007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).